SCHEMBL27701422

SCHEMBL27701422

COc1cc(CC(=O)O)nc2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.61
HPGD P15428 4/20 0.53
LMNA P02545 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
SLC2A1 P11166 1/20 0.50
PDE10A Q9Y233 3/20 0.48
ALDH1A1 P00352 5/20 0.48
KDM4E B2RXH2 5/20 0.48
MAPT P10636 4/20 0.48
HTT P42858 3/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
GAA P10253 3/20 0.46
NPC1 O15118 1/20 0.45
POLB P06746 1/20 0.45
HSD17B10 Q99714 1/20 0.44
MAPK1 P28482 1/20 0.44
RAB9A P51151 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL27310559 0.84 KDM4E (0.53) ALOX15HPGDSMN1; SMN2ALDH1A1KDM4E
SCHEMBL7068027 0.83 ALOX15 (0.58) ALOX15HPGDLMNASMN1; SMN2SLC2A1
SCHEMBL8290938 0.81 LMNA (0.58) ALOX15HPGDLMNASMN1; SMN2SLC2A1
SCHEMBL3967007 0.80 LMNA (0.57) ALOX15HPGDLMNASMN1; SMN2SLC2A1
SCHEMBL2334699 0.78 LMNA (0.59) ALOX15HPGDLMNASMN1; SMN2SLC2A1
Chimanine A SCHEMBL8588818 0.78 HPGD (0.59) ALOX15HPGDLMNASMN1; SMN2SLC2A1
SCHEMBL27311485 0.78 MEN1 (0.48) HPGDSMN1; SMN2ALDH1A1KDM4EHTT
SCHEMBL4390702 0.77 LMNA (0.54) ALOX15HPGDLMNASMN1; SMN2SLC2A1
SCHEMBL297225 0.76 ALOX15 (1.00) ALOX15HPGDLMNASMN1; SMN2SLC2A1
SCHEMBL20589656 0.76 GAA (0.45) ALOX15HPGDLMNAALDH1A1KDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101115742-B Heterocycle derivatives as histone deacetylase (hdac) inhibitors ANGELETTI P IST RICHERCHE BIO 2011-06-22 CN disclosed
CN-101115742-A Heterocycle derivatives as histone deacetylase (hdac) inhibitors ANGELETTI P IST RICHERCHE BIO (IT) 2008-01-30 CN disclosed